SCHEMBL27061913

SCHEMBL27061913

CS(=O)(=O)N1CCC(Nc2ncc3cccc(N4CCC5(CCN(S(C)(=O)=O)C5)C4)c3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 18/20 0.49
▸ CCNE1 P24864 17/20 0.49
▸ CCND1 P24385 10/20 0.46
▸ CDK6 Q00534 9/20 0.46
▸ CDK4 P11802 7/20 0.46
▸ CCNT1 O60563 6/20 0.46
▸ CDK9 P50750 6/20 0.46
▸ CCND3 P30281 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ IKBKB O14920 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30804788 1.00 CDK2 (0.49) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL30726224 0.92 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27033611 0.92 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061975 0.91 CDK2 (0.47) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061912 0.91 CDK2 (0.47) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061905 0.91 CDK2 (0.47) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL30804796 0.90 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061972 0.90 CDK2 (0.48) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061907 0.90 CDK2 (0.47) CDK2CCNE1CCND1CDK6CDK4
SCHEMBL27061909 0.90 CDK2 (0.46) CDK2CCNE1CCND1CDK6CDK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. 2024-03-21 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE CCNI, CDK3, CDK1 CDK2 5/4885CCNE1 53/4885CCND1 91/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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